4-(diethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide

Systemtic Name: 4-(diethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide Openeye Name: 4-(diethylamino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: 4-(diethylamino)-N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-(diethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: 4-(diethylamino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide Formula: C21H25N5O8S MolecularWeight: 507.5169

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O8S/c1-3-23(4-2)20-18(25(28)29)13-15(14-19(20)26(30)31)21(27)22-16-5-7-17(8-6-16)35(32,33)24-9-11-34-12-10-24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,22,27)